Understanding and modulating cyclin-dependent kinase inhibitor specificity: Molecular modeling and biochemical evaluation of pyrazolopyrimidinones as CDK2/cyclin A and CDK4/cyclin D1 inhibitors

Journal of Computer-Aided Molecular Design

Volumn 19, Issue 2, 2005, Pages 111-122

  Rossi, Karen A ^a   Markwalder, Jay A ^a   Seitz, Steven P ^a   Chang, Chong Hwan ^a   Cox, Sarah ^a   Boisclair, Michael D ^b   Brizuela, Leonardo ^c   Brenner, Stephen L ^a   Stouten, Pieter F W ^d  

^a BRISTOL MYERS SQUIBB PHARMACEUTICAL RESEARCH INSTITUTE   (United States)

^b OSI PHARMACEUTICALS INC   (United States)

^c HARVARD MEDICAL SCHOOL   (United States)

^d NERVIANO MEDICAL SCIENCES   (Italy)

Author keywords

ATP competitive; Cancer; Cyclin dependent kinase (CDK); Docking; Homology; Selectivity

Indexed keywords

CRYSTAL STRUCTURE; DISEASES; ENZYME INHIBITION; HYDROGEN BONDS;

ATP-COMPETITIVE; CANCER; CYCLIN A; CYCLIN-DEPENDENT KINASE; CYCLIN-DEPENDENT KINASE INHIBITORS; CYCLIND1; DOCKING; HOMOLOGY; SELECTIVITY;

CHEMOTHERAPY;

CYCLIN A; CYCLIN D1; CYCLIN DEPENDENT KINASE 2; CYCLIN DEPENDENT KINASE 4; CYCLIN DEPENDENT KINASE INHIBITOR; PYRAZOLOPYRIMIDINE DERIVATIVE;

ARTICLE; COMPUTER AIDED DESIGN; COMPUTER PROGRAM; CRYSTAL STRUCTURE; DRUG BINDING; DRUG DESIGN; DRUG IDENTIFICATION; DRUG POTENCY; DRUG SELECTIVITY; DRUG SPECIFICITY; HYDROGEN BOND; MOLECULAR MODEL; NONHUMAN; PRIORITY JOURNAL; PROTEIN BINDING; STRUCTURAL HOMOLOGY; STRUCTURE ACTIVITY RELATION; STRUCTURE ANALYSIS;

EID: 22144457954     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-005-1778-x     Document Type: Article

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